Crystallography Open Database

Information card for entry 7216739

Preview

Coordinates	7216739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N8 Ni O4 P2
Calculated formula	C20 H20 N8 Ni O4 P2
SMILES	c1cccc2[n]1[Ni]134([n]5c(cccc5)NP(=O)(N2)O1)[n]1ccccc1NP(=O)(Nc1cccc[n]31)O4
Title of publication	Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand
Authors of publication	Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	51
Pages of publication	26902
a	19.3666 ± 0.0012 Å
b	19.3666 ± 0.0012 Å
c	25.514 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9569.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1345
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180498 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67.	7216739.cif
117995	2014-06-23	cif/ Adding structures of 7216738, 7216739, 7216740, 7216741 via cif-deposit CGI script.	7216739.cif